COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.090  -0.076  -0.177  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.482  -1.187   0.558  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.536  -1.116   1.936  1.00  0.00           C  
HETATM    4  C   UNL     1       0.152  -1.228  -3.423  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.754   1.102   0.475  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.171  -0.880   4.743  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.201   0.058   2.583  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.816   1.168   1.853  1.00  0.00           C  
HETATM    9  O   UNL     1       3.832   0.375   4.995  1.00  0.00           O  
HETATM   10  S   UNL     1      -1.272   0.144   4.342  1.00  0.00           S  
HETATM   11  C   UNL     1       0.536   0.133  -4.009  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.497   1.174  -3.567  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.591   1.172  -2.040  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.033  -0.144  -1.571  1.00  0.00           N  
HETATM   15  C   UNL     1       0.024  -1.104  -1.903  1.00  0.00           C  
HETATM   16  C   UNL     1       0.588  -0.108  -8.274  1.00  0.00           C  
HETATM   17  C   UNL     1       1.734   0.249  -7.588  1.00  0.00           C  
HETATM   18  C   UNL     1       1.717   0.327  -6.208  1.00  0.00           C  
HETATM   19  C   UNL     1       0.554   0.048  -5.514  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.589  -0.314  -6.199  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.573  -0.388  -7.580  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.406   1.524   4.656  1.00  0.00           O  
HETATM   23  N   UNL     1       0.212  -0.306   4.920  1.00  0.00           N  
HETATM   24  C   UNL     1       1.406   0.453   4.544  1.00  0.00           C  
HETATM   25  C   UNL     1       2.618  -0.158   5.198  1.00  0.00           C  
HETATM   26  O   UNL     1       2.496  -1.130   5.906  1.00  0.00           O  
HETATM   27  H   UNL     1      -1.744  -2.105   0.053  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.841  -1.979   2.509  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.800  -1.550  -3.843  1.00  0.00           H  
HETATM   30  H   UNL     1       0.924  -1.959  -3.665  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.448   1.968  -0.093  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.555   2.084   2.362  1.00  0.00           H  
HETATM   33  H   UNL     1       4.610  -0.017   5.414  1.00  0.00           H  
HETATM   34  H   UNL     1       1.522   0.422  -3.646  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.469   0.924  -3.992  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.190   2.161  -3.912  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.306   1.930  -1.720  1.00  0.00           H  
HETATM   38  H   UNL     1       0.387   1.398  -1.617  1.00  0.00           H  
HETATM   39  H   UNL     1       0.971  -0.758  -1.487  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.222  -2.077  -1.480  1.00  0.00           H  
HETATM   41  H   UNL     1       0.601  -0.168  -9.352  1.00  0.00           H  
HETATM   42  H   UNL     1       2.642   0.467  -8.130  1.00  0.00           H  
HETATM   43  H   UNL     1       2.612   0.606  -5.672  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.497  -0.532  -5.657  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.468  -0.667  -8.116  1.00  0.00           H  
HETATM   46  H   UNL     1       0.290  -1.074   5.508  1.00  0.00           H  
HETATM   47  H   UNL     1       1.298   1.486   4.874  1.00  0.00           H  
HETATM   48  H   UNL     1       1.527   0.428   3.461  1.00  0.00           H  
CONECT    1    2    2    5   14                                       
CONECT    2    1    1    3   27                                       
CONECT    3    2    7    7   28                                       
CONECT    4   11   15   29   30                                       
CONECT    5    1    8    8   31                                       
CONECT    6   10   10                                                 
CONECT    7    3    3    8   10                                       
CONECT    8    5    5    7   32                                       
CONECT    9   25   33                                                 
CONECT   10    6    6    7   22                                       
CONECT   10   22   23                                                 
CONECT   11    4   12   19   34                                       
CONECT   12   11   13   35   36                                       
CONECT   13   12   14   37   38                                       
CONECT   14    1   13   15                                            
CONECT   15    4   14   39   40                                       
CONECT   16   17   17   21   41                                       
CONECT   17   16   16   18   42                                       
CONECT   18   17   19   19   43                                       
CONECT   19   11   18   18   20                                       
CONECT   20   19   21   21   44                                       
CONECT   21   16   20   20   45                                       
CONECT   22   10   10                                                 
CONECT   23   10   24   46                                            
CONECT   24   23   25   47   48                                       
CONECT   25    9   24   26   26                                       
CONECT   26   25   25                                                 
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
